3-chloro-4-(2-ethoxyanilino)-1-phenylpyrrole-2,5-dione

C18H15ClN2O3 — CID 720252

IUPAC3-chloro-4-(2-ethoxyanilino)-1-phenylpyrrole-2,5-dione
SMILESCCOc1ccccc1NC1=C(Cl)C(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C18H15ClN2O3/c1-2-24-14-11-7-6-10-13(14)20-16-15(19)17(22)21(18(16)23)12-8-4-3-5-9-12/h3-11,20H,2H2,1H3
InChIKeyVBCLBDZUCUCVEY-UHFFFAOYSA-N
MW342.78 g/mol
LogP3.52
Rot. Bonds5

About 3-chloro-4-(2-ethoxyanilino)-1-phenylpyrrole-2,5-dione

3-chloro-4-(2-ethoxyanilino)-1-phenylpyrrole-2,5-dione (PubChem CID 720252) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is 3-chloro-4-(2-ethoxyanilino)-1-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-4-(2-ethoxyanilino)-1-phenylpyrrole-2,5-dione
PubChem CID720252
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Name3-chloro-4-(2-ethoxyanilino)-1-phenylpyrrole-2,5-dione
SMILESCCOc1ccccc1NC1=C(Cl)C(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C18H15ClN2O3/c1-2-24-14-11-7-6-10-13(14)20-16-15(19)17(22)21(18(16)23)12-8-4-3-5-9-12/h3-11,20H,2H2,1H3
InChIKeyVBCLBDZUCUCVEY-UHFFFAOYSA-N
XLogP3.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-Ethoxy-2'-ethyloxanilide
CID 90303
o-Ethoxyacetanilide
CID 11383
2-Chloro-N-(2-methoxyphenyl)acetamide
CID 41647
2,5-Bis(2-methoxyanilino)-3,6-dichloro-1,4-benzoquinone
CID 351565
2-(4-methylpiperazino)-N-(2-phenoxyphenyl)acetamide
CID 2813152
2-Phenoxyacetanilide
CID 897080
N-(2-Methoxyphenyl)-2-morpholinoacetamide
CID 684240
N-(2-methoxyphenyl)-2-phenoxyacetamide
CID 721262
3-Chloro-1-(2-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 734031
N-(2-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 2234469
N-[4-(dimethylamino)phenyl]-N'-(2-phenoxyethyl)ethanediamide
CID 2248970
N-(2-methoxyphenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 16309134

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-ethoxyanilino)-1-phenylpyrrole-2,5-dione?
The IUPAC name of 3-chloro-4-(2-ethoxyanilino)-1-phenylpyrrole-2,5-dione (CID 720252) is 3-chloro-4-(2-ethoxyanilino)-1-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-4-(2-ethoxyanilino)-1-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-chloro-4-(2-ethoxyanilino)-1-phenylpyrrole-2,5-dione is CCOc1ccccc1NC1=C(Cl)C(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 3-chloro-4-(2-ethoxyanilino)-1-phenylpyrrole-2,5-dione?
The InChIKey is VBCLBDZUCUCVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c1-2-24-14-11-7-6-10-13(14)20-16-15(19)17(22)21(18(16)23)12-8-4-3-5-9-12/h3-11,20H,2H2,1H3.
What are the key properties of 3-chloro-4-(2-ethoxyanilino)-1-phenylpyrrole-2,5-dione?
3-chloro-4-(2-ethoxyanilino)-1-phenylpyrrole-2,5-dione has a molecular weight of 342.78 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-ethoxyanilino)-1-phenylpyrrole-2,5-dione is sourced from PubChem (CID 720252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).